SCHEMBL4614092

SCHEMBL4614092

CC(=O)C(C)C(C)C(C)(C(C)=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25787072 0.75 TSHR (0.38) ALDH1A1TSHR
SCHEMBL380554 0.71 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL3942875 0.67 TSHR (0.40) ALDH1A1TSHR
SCHEMBL2230034 0.66 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL13382476 0.66 GAA (0.36) ALDH1A1TSHR
SCHEMBL12737240 0.64 LMNA (0.42) ALDH1A1TSHR
SCHEMBL1397155 0.64 LMNA (0.42) ALDH1A1TSHR
SCHEMBL21269388 0.64 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL21268834 0.64 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL21269260 0.64 ALDH1A1 (0.42) ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1238962-B1 A process for the preparation of michael-adducts FIRMENICH & CIE (CH) 2008-02-27 EP claimed